N-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide

C21H27NO2 — CID 86972858

IUPACN-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide
SMILESCC(C)C(CC(=O)NCCCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-16(2)20(18-8-4-3-5-9-18)15-21(24)22-14-6-7-17-10-12-19(23)13-11-17/h3-5,8-13,16,20,23H,6-7,14-15H2,1-2H3,(H,22,24)
InChIKeyORJFCHHUCDTYFK-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.27
Rot. Bonds8

About N-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide

N-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide (PubChem CID 86972858) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide
PubChem CID86972858
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide
SMILESCC(C)C(CC(=O)NCCCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-16(2)20(18-8-4-3-5-9-18)15-21(24)22-14-6-7-17-10-12-19(23)13-11-17/h3-5,8-13,16,20,23H,6-7,14-15H2,1-2H3,(H,22,24)
InChIKeyORJFCHHUCDTYFK-UHFFFAOYSA-N
XLogP4.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride
CID 119429836
3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide
CID 110025454
3-(ethylamino)-N-(3-phenylpropyl)butanamide
CID 62839193
3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide
CID 109020264
2-methyl-3-[(4-methyl-3-phenylpentanoyl)amino]propanoic acid
CID 75513474
(2S)-2-amino-4-oxo-4-(3-phenylpropylamino)butanoic acid
CID 67284376
N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide
CID 108951176
1-[3-(4-hydroxyphenyl)propyl]-3-(3-methyl-3-phenylbutan-2-yl)urea
CID 86973264
2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 61239080
3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide
CID 143274718
2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 8730291
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide?
The IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide (CID 86972858) is N-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide.
What is the SMILES notation for N-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide?
The canonical SMILES for N-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide is CC(C)C(CC(=O)NCCCc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of N-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide?
The InChIKey is ORJFCHHUCDTYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-16(2)20(18-8-4-3-5-9-18)15-21(24)22-14-6-7-17-10-12-19(23)13-11-17/h3-5,8-13,16,20,23H,6-7,14-15H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide?
N-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide has a molecular weight of 325.45 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide is sourced from PubChem (CID 86972858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).